[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

Systemtic Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone Openeye Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-propoxy-1-piperidyl]methanone CAS Name: [3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]phenyl]-[(3S)-3-propoxy-1-piperidinyl]methanone IUPAC Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone Traditional Name: [3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-propoxypiperidino]methanone Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC

Isomeric SMILES

CCCO[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC

InChI

InChI=1S/C22H34N2O4/c1-4-14-27-19-6-5-11-24(16-19)22(25)17-7-8-20(21(15-17)26-3)28-18-9-12-23(2)13-10-18/h7-8,15,18-19H,4-6,9-14,16H2,1-3H3/p+1/t19-/m0/s1